5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C33H34F2N4O3 — CID 90912377

IUPAC5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(-c2ccn3nc(Cc4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(C2CCCCC2)CC1
InChIInChI=1S/C33H34F2N4O3/c1-19-16-27(42-2)25(32(41)37-33(13-14-33)21-6-4-3-5-7-21)18-24(19)23-12-15-39-30(29(23)35)28(31(36)40)26(38-39)17-20-8-10-22(34)11-9-20/h8-12,15-16,18,21H,3-7,13-14,17H2,1-2H3,(H2,36,40)(H,37,41)
InChIKeyJUNSCOODXOWVFU-UHFFFAOYSA-N
MW572.66 g/mol
LogP6.13
Rot. Bonds8

About 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90912377) has the molecular formula C33H34F2N4O3 and a molecular weight of 572.66 g/mol. Its IUPAC name is 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90912377
Molecular FormulaC33H34F2N4O3
Molecular Weight572.66 g/mol
Exact Mass572.26
IUPAC Name5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)c(-c2ccn3nc(Cc4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(C2CCCCC2)CC1
InChIInChI=1S/C33H34F2N4O3/c1-19-16-27(42-2)25(32(41)37-33(13-14-33)21-6-4-3-5-7-21)18-24(19)23-12-15-39-30(29(23)35)28(31(36)40)26(38-39)17-20-8-10-22(34)11-9-20/h8-12,15-16,18,21H,3-7,13-14,17H2,1-2H3,(H2,36,40)(H,37,41)
InChIKeyJUNSCOODXOWVFU-UHFFFAOYSA-N
XLogP6.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90912377) is 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc(C)c(-c2ccn3nc(Cc4ccc(F)cc4)c(C(N)=O)c3c2F)cc1C(=O)NC1(C2CCCCC2)CC1.
What is the InChIKey of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JUNSCOODXOWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N4O3/c1-19-16-27(42-2)25(32(41)37-33(13-14-33)21-6-4-3-5-7-21)18-24(19)23-12-15-39-30(29(23)35)28(31(36)40)26(38-39)17-20-8-10-22(34)11-9-20/h8-12,15-16,18,21H,3-7,13-14,17H2,1-2H3,(H2,36,40)(H,37,41).
What are the key properties of 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 572.66 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1-cyclohexylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90912377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).